Sugi Predict

Sugi Predict / Compounds / SCHEMBL163992

SCHEMBL163992

SCHEMBL163992

CN(C)c1ccc(N=C=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.58
▸ ALDH1A1 P00352 6/20 0.58
▸ MAPK1 P28482 5/20 0.58
▸ HSD17B10 Q99714 4/20 0.58
▸ TP53 P04637 2/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ ALOX15 P16050 3/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ TDP1 Q9NUW8 4/20 0.48
▸ ADRA2A P08913 2/20 0.47
▸ ADRA2B P18089 2/20 0.47
▸ ADRA2C P18825 2/20 0.47
▸ CYP2A6 P11509 1/20 0.46
▸ CYP2A13 Q16696 1/20 0.46
▸ KMT2A Q03164 6/20 0.46
▸ NPC1 O15118 5/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MAPT P10636 2/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6652098 0.94 TSHR (0.59) TSHRALDH1A1MAPK1HSD17B10TP53
SCHEMBL7787563 0.94 TSHR (0.59) TSHRALDH1A1MAPK1HSD17B10TP53
SCHEMBL9185385 0.86 TSHR (0.50) TSHRALDH1A1MAPK1HSD17B10TP53
SCHEMBL134659 0.81 ALDH1A1 (0.56) TSHRALDH1A1MAPK1HSD17B10TP53
SCHEMBL3163386 0.81 CYP3A4 (0.54) TSHRALDH1A1MAPK1HSD17B10TP53
SCHEMBL15430 0.80 CYP3A4 (0.70) TSHRALDH1A1MAPK1HSD17B10CYP3A4
SCHEMBL11320017 0.77 ALDH1A1 (0.52) TSHRALDH1A1MAPK1HSD17B10TP53
SCHEMBL249847 0.77 ALDH1A1 (0.52) TSHRALDH1A1MAPK1HSD17B10TP53
Ammonia Solution, Strong SCHEMBL28239770 0.77 CYP3A4 (0.67) TSHRALDH1A1MAPK1CYP3A4TDP1
Water SCHEMBL28889229 0.77 CYP3A4 (0.67) TSHRALDH1A1MAPK1CYP3A4TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 777 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119819277-B Beta-cyclodextrin derivative chiral stationary phase based on BINAM and preparation method and application thereof 昆明医科大学 2025-05-27 — — CN claimed
CN-119819277-A Beta-cyclodextrin derivative chiral stationary phase based on BINAM and preparation method and application thereof 昆明医科大学 2025-04-15 — — CN claimed
US-20240332628-A1 Silicon-Based Energy Storage Devices With Electrolyte Containing Cyanate Based Compounds ENEVATE CORP (US) 2024-10-03 — — US claimed
CN-114685787-B Polyimide film with synergistic crosslinking structure and preparation method and application thereof 上海市塑料研究所有限公司 2024-03-08 — — CN claimed
CN-112980014-B Blended polyimide film, preparation method thereof and application thereof in flexible display substrate 上海市合成树脂研究所有限公司 2023-08-08 — — CN claimed
CN-112851980-B Recycled carbon fiber reinforced thermoplastic polyurethane elastomer and preparation method thereof 东莞塘厦怡丰运动科技有限公司 2021-08-17 — — CN claimed
WO-2021158366-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE CONTAINING CYANATE BASED COMPOUNDS ENEVATE CORPORATION (US) 2021-08-12 — — WO claimed
US-20210249689-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE CONTAINING CYANATE BASED COMPOUNDS ENEVATE CORPORATION 2021-08-12 — — US claimed
CN-112851980-A Recycled carbon fiber reinforced thermoplastic polyurethane elastomer and preparation method thereof 东莞塘厦怡丰运动科技有限公司 2021-05-28 — — CN claimed
CN-107176925-B Synthesis method of polysubstituted imidazoline-2, 4-diketone compound 湖北科技学院 2020-04-28 — — CN claimed
CN-107176925-A A kind of synthetic method of the cyclohexadione compounds of polysubstituted imidazoline 2,4 湖北科技学院 2017-09-19 — — CN claimed
CN-103304446-B Derivatization method of optically active phenylacetylene compound UNIV HARBIN ENG 2015-02-25 — — CN claimed
CN-103304446-A Derivatization method of optically active phenylacetylene compound UNIV HARBIN ENG 2013-09-18 — — CN claimed
EP-2112000-B1 Heat sensitive recording material MITSUBISHI HITEC PAPER EUROPE (DE) 2011-01-19 — — EP claimed
EP-2112000-A1 Heat sensitive recording material Mitsubishi HiTec Paper Flensburg GmbH (DE) 2009-10-28 — — EP claimed
US-5134189-A Isocyanate, Imino Compound, Polymeric Binder MITSUBISHI PAPER MILLS LIMITED (JP) 1992-07-28 — — US claimed
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 — — EP disclosed
US-12319661-B2 Polycyclic compound EUTEC NEW MATERIALS TECHNOLOGY (SUZHOU) CO., LTD. (CN) 2025-06-03 — — US disclosed
US-3994886-A ANTIBACTERIAL RECHERCHE ET INDUSTRIE THERAPEUTIQUES (R.I.T.) (BE) 1976-11-30 — — US disclosed
US-3994887-A ANTIBACTERIAL RECHERCHE ET INDUSTRIE THERAPEUTIQUES (R.I.T.) (BE) 1976-11-30 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240332628-A1 Silicon-Based Energy Storage Devices With Electrolyte Containing Cyanate Based Compounds SIRT3, SLC6A12, HCN2 TSHR 4711/4885ALDH1A1 1987/4885MAPK1 579/4885
US-20210249689-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH ELECTROLYTE CONTAINING CYANATE BASED COMPOUNDS SIRT3, SLC6A12, HCN2 TSHR 4711/4885ALDH1A1 1987/4885MAPK1 579/4885
US-12319661-B2 Polycyclic compound CUTA, CDH1, DSG1 TSHR 2578/4885ALDH1A1 878/4885MAPK1 3312/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.